[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-but-3-enoate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-oxidanyl-2-thiophen-2-yl-but-3-enoate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] 2-hydroxy-2-(2-thienyl)but-3-enoate CAS Name: 2-hydroxy-2-thiophen-2-yl-3-butenoic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2-thiophen-2-ylbut-3-enoate Traditional Name: 2-hydroxy-2-(2-thienyl)but-3-enoic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-3-yl] ester Formula: C24H30NO4S+ MolecularWeight: 428.5643

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCOC4=CC=CC=C4)O

Isomeric SMILES

C=CC(C1=CC=CS1)(C(=O)OC2C[N+]3(CCC2CC3)CCCOC4=CC=CC=C4)O

InChI

InChI=1S/C24H30NO4S/c1-2-24(27,22-10-6-17-30-22)23(26)29-21-18-25(14-11-19(21)12-15-25)13-7-16-28-20-8-4-3-5-9-20/h2-6,8-10,17,19,21,27H,1,7,11-16,18H2/q+1